2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid

C14H25NO4S — CID 63068798

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C14H25NO4S/c1-2-3-11-4-5-12(14(16)17)13(10-11)15-6-8-20(18,19)9-7-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyODYBDTYLIDALPS-UHFFFAOYSA-N
MW303.42 g/mol
LogP1.39
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid

2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63068798) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid
PubChem CID63068798
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C14H25NO4S/c1-2-3-11-4-5-12(14(16)17)13(10-11)15-6-8-20(18,19)9-7-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyODYBDTYLIDALPS-UHFFFAOYSA-N
XLogP1.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid (CID 63068798) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N2CCS(=O)(=O)CC2)C1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is ODYBDTYLIDALPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-2-3-11-4-5-12(14(16)17)13(10-11)15-6-8-20(18,19)9-7-15/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).